Compound Detail
CHEMBL3133016
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(Nc1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1)c1nnc(Nc2cc(F)c(F)cc2F)o1
Basic Information
| ChEMBL ID | CHEMBL3133016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYWZECIITKJGMY-KLPPZKSPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
4.64
ALogP
7
HBA
3
HBD
126.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human DGAT1 | - |
| Sterol O-acyltransferase 1 | IC50 | = | 860.0 | nM | 6.07 | Inhibition of human ACAT1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20187A | No relevant target | 2 |
| - | 10.1039/C2MD20187A | Sterol O-acyltransferase 1 | 1 |
| - | 10.1039/C2MD20187A | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine